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Galangin

E3L044936
Internal ID: BDB044936
Activity data available Local docking-ready structure
Dock with P37231
Structure
/e3_file/ligand_db/generated/BDB044936/BDB044936.sdf
Basic Properties
Compound ID
E3L044936
Internal ID
BDB044936
Molecular formula
C15H10O5
Molecular weight
270.240000
Exact mass
270.052823
XLogP
2.5768
TPSA
90.9000
HBA / HBD
5 / 3
Rotatable bonds
1
Heavy atoms / rings
20 / 3
Activity summary
Ki unknown 5600.00000000 nM
1 activity record(s) imported
InChIKey
VCCRNZQBSJXYJD-UHFFFAOYSA-N
SMILES
O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12
Aliases
BDBM50049391 (preferred) Galangin (source_name) BDBM50049391 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P37231 PPARG;NR1C3
Peroxisome proliferator-activated receptor gamma		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50049391 medium
; target=Peroxisome proliferator-activated receptor gamma
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50049391 Open - 10.7270/Q29G5RSJ PMID: 34922307
PubChem CID5281616 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB044936/BDB044936.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB044936/BDB044936.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB044936/BDB044936.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB044936/BDB044936.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB044936/BDB044936.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Peroxisome proliferator-activated receptor gamma
P37231
E3 ligase component 		BindingDB:BDBM50049391 Ki 5600 nM Low DOI: 10.7270/Q29G5RSJ
PMID: 34922307 		1